N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine Openeye Name: N-allyl-N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methyl-1-piperazinyl)-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methylpiperazin-1-yl)-4-nitro-N-prop-2-enyl-2,1,3-benzoxadiazol-7-amine Traditional Name: allyl-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]-veratryl-amine Formula: C23H28N6O5 MolecularWeight: 468.50562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC=C)CC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)N(CC=C)CC4=CC(=C(C=C4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N6O5/c1-5-8-28(15-16-6-7-19(32-3)20(13-16)33-4)17-14-18(27-11-9-26(2)10-12-27)23(29(30)31)22-21(17)24-34-25-22/h5-7,13-14H,1,8-12,15H2,2-4H3